CID 59278605

6-(2-hydroxyethoxy)nicotinaldehyde

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=NC=C1C=O)OCCO
InChI
InChI=1S/C8H9NO3/c10-3-4-12-8-2-1-7(6-11)5-9-8/h1-2,5-6,10H,3-4H2
InChIKey
JKVDEQIUVMTXNC-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethoxy)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

167.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 131.9
[M+Na]+ 190.047458 140.4
[M-H]- 166.050964 133.1
[M+NH4]+ 185.092063 150.5
[M+K]+ 206.021398 138.7
[M+H-H2O]+ 150.055500 125.6
[M+HCOO]- 212.056441 154.9
[M+CH3COO]- 226.072091 174.6
[M+Na-2H]- 188.032906 139.6
[M]+ 167.05769142 134.1
[M]- 167.05878858 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe